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CHEBI:146309 - 3-methylorsellinic acid
| Formula | C9H10O4 |
| Net Charge | 0 |
| Average Mass | 182.175 |
| Monoisotopic Mass | 182.05791 |
| SMILES | Cc1cc(O)c(C)c(O)c1C(=O)O |
| InChI | InChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13) |
| InChIKey | VHNLJRRECIZZPX-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cephalosporium sp. (ncbitaxon:1981612) | - | PubMed (15307685) | Strain: AL031 |
| Ramalina capitata (ncbitaxon:859456) | - | PubMed (28029061) | |
| Penicillium sp. (ncbitaxon:508) | - | PubMed (30469376) | Strain: KMM 4672 |
| Penicillium spinulosum (ncbitaxon:63822) | - | PubMed (1155879) | |
| Aspergillus terreus (ncbitaxon:33178) | - | DOI (/10.1039/C39720000391) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methylorsellinic acid (CHEBI:146309) has functional parent o-orsellinic acid (CHEBI:32807) |
| 3-methylorsellinic acid (CHEBI:146309) has role Aspergillus metabolite (CHEBI:76956) |
| 3-methylorsellinic acid (CHEBI:146309) has role antibacterial agent (CHEBI:33282) |
| 3-methylorsellinic acid (CHEBI:146309) has role fungal metabolite (CHEBI:76946) |
| 3-methylorsellinic acid (CHEBI:146309) is a dihydroxybenzoic acid (CHEBI:23778) |
| 3-methylorsellinic acid (CHEBI:146309) is a resorcinols (CHEBI:33572) |
| 3-methylorsellinic acid (CHEBI:146309) is conjugate acid of 3-methylorsellinate (CHEBI:146372) |
| Incoming Relation(s) |
| 3-methylorsellinate (CHEBI:146372) is conjugate base of 3-methylorsellinic acid (CHEBI:146309) |
| IUPAC Name |
|---|
| 2,4-dihydroxy-3,6-dimethylbenzoic acid |
| Synonyms | Source |
|---|---|
| 3,6-dimethyl-2,4-dihydroxybenzoic acid | ChEBI |
| β-orcinolcarboxylic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:4707-46-4 | ChEBI |
| Citations |
|---|